tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate

C12H21NO3 — CID 11736302

IUPACtert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C12H21NO3/c1-8-6-7-9(2)13(10(8)14)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyHBMGVXZPAMRMBX-RKDXNWHRSA-N
MW227.30 g/mol
LogP2.57
Rot. Bonds

About tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate

tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate (PubChem CID 11736302) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
PubChem CID11736302
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C12H21NO3/c1-8-6-7-9(2)13(10(8)14)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyHBMGVXZPAMRMBX-RKDXNWHRSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,5R)-3-hydroxy-5-methyl-2-oxopyrrolidine-1-carboxylate
CID 10976837
tert-butyl (3R,5S)-5-acetyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 58451499
tert-butyl (3R,5S)-5-(hydroxymethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 22883709
tert-butyl (3S,5S)-5-formyl-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 89448958
ditert-butyl (3S,6R)-3,6-dimethyldiazinane-1,2-dicarboxylate
CID 101100448
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl 5-(iodomethyl)-3-methyl-2-oxopyrrolidine-1-carboxylate
CID 130003338
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
1-O-tert-butyl 2-O-methyl (2S,3S)-3-deuterio-4-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 176786602
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
CID 99978734
tert-butyl (2S,4R)-4-hydroxy-2-methyl-6-oxopiperidine-1-carboxylate
CID 102357347

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate (CID 11736302) is tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate is C[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate?
The InChIKey is HBMGVXZPAMRMBX-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-6-7-9(2)13(10(8)14)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate?
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 11736302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).